N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine

C18H16N6S2 — CID 2471690

IUPACN-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1ccccc1Nc1nc(CSc2nnnn2-c2ccccc2)cs1
InChIInChI=1S/C18H16N6S2/c1-13-7-5-6-10-16(13)20-17-19-14(11-25-17)12-26-18-21-22-23-24(18)15-8-3-2-4-9-15/h2-11H,12H2,1H3,(H,19,20)
InChIKeyHHZMTVRNDIWYMB-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.46
Rot. Bonds6

About N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine

N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 2471690) has the molecular formula C18H16N6S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID2471690
Molecular FormulaC18H16N6S2
Molecular Weight380.50 g/mol
Exact Mass380.09
IUPAC NameN-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1ccccc1Nc1nc(CSc2nnnn2-c2ccccc2)cs1
InChIInChI=1S/C18H16N6S2/c1-13-7-5-6-10-16(13)20-17-19-14(11-25-17)12-26-18-21-22-23-24(18)15-8-3-2-4-9-15/h2-11H,12H2,1H3,(H,19,20)
InChIKeyHHZMTVRNDIWYMB-UHFFFAOYSA-N
XLogP4.46
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 2471690) is N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is Cc1ccccc1Nc1nc(CSc2nnnn2-c2ccccc2)cs1.
What is the InChIKey of N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is HHZMTVRNDIWYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S2/c1-13-7-5-6-10-16(13)20-17-19-14(11-25-17)12-26-18-21-22-23-24(18)15-8-3-2-4-9-15/h2-11H,12H2,1H3,(H,19,20).
What are the key properties of N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 380.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2471690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).